FraGen-GUI

FraGen-GUI is a graphical user interface program for FraGen, which is a real-space structure determination program for inorganic extended frameworks developed by Li et al (J. Appl. Cryst. 2012, 45, 855; DOI: 10.1107/s002188981201878x). FraGen-GUI provides an input panel and an output panel to help users prepare input files for FraGen and interpret output files generated by FraGen. On the input panel, there are four tabs, each of which contains different types of keywords or parameters for FraGen. Users can input their instructions and save them as a text file. The output panel consists of the main display window, the toolbar, the structure list, the tool boxes and the status window. The structure models generated by FraGen are displayed automatically in main display window. Users can perform a series of operations on these models. More importantly, FraGen-GUI can be used to remove duplicated models generated by FraGen, to add bridging atoms missing in FraGen simulations, and to simulate XRD patterns for comparison with experimental results. With the aid of FraGen-GUI, the efficiency of real-space structure determination via program FraGen will be significantly enhanced.<br>FraGen-GUI is a 64-bit Windows application developed with Python 3.6, Matplotlib 2.1.0 plotting library, and VTK 7.1.1 visualization toolkit. It has been tested on 64-bit Windows 7 and 10.